Mrv1652309122217472D 18 19 0 0 1 0 999 V2000 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 2 17 1 0 0 0 0 7 17 1 0 0 0 0 17 18 1 6 0 0 0 M END > NP0330434 > NP-MRD > CC1=CC(=O)C[C@]2(C)CC[C@H](C[C@@]12O)C(C)(C)O > InChI=1S/C15H24O3/c1-10-7-12(16)9-14(4)6-5-11(13(2,3)17)8-15(10,14)18/h7,11,17-18H,5-6,8-9H2,1-4H3/t11-,14+,15-/m1/s1 > RIELHYZHKAPANU-BYCMXARLSA-N > C15H24O3 > 252.354 > 252.172544633 > 3 > 42 > 28.434267989302988 > 1 > 2 > 0 > 1 > (4aS,6R,8aS)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one > 1.6509293636666662 > 0 > 2 > 0 > 15.091298383205796 > 13.755422921593873 > -2.7711198239677435 > 57.53 > 71.4262 > 1 > 1 > (4aS,6R,8aS)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one > 0 > NP0330434 > (4as,6r,8as)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1h-naphthalen-2-one $$$$